General Information of the Compound
| Compound ID |
CP0478902
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| Compound Name |
(3S,6S,7S)-3-(2-Methoxy-phenyl)-7-phenyl-1,8-diaza-spiro[5.5]undecane
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| Structure |
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| Formula |
C22H28N2O
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| Molecular Weight |
336.479
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| Canonical SMILES |
COc1ccccc1[C@@H]1CC[C@@]2(CCCN[C@H]2c2ccccc2)NC1
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| InChI |
InChI=1S/C22H28N2O/c1-25-20-11-6-5-10-19(20)18-12-14-22(24-16-18)13-7-15-23-21(22)17-8-3-2-4-9-17/h2-6,8-11,18,21,23-24H,7,12-16H2,1H3/t18-,21+,22-/m1/s1
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| InChIKey |
BLYHUYRAYMAUST-BVYCBKJFSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound